N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide

C20H38BN3O3 — CID 139021398

IUPACN-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide
SMILESCN(C)C1CCCCC1NC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C20H38BN3O3/c1-19(2)20(3,4)27-21(26-19)15-11-13-24(14-12-15)18(25)22-16-9-7-8-10-17(16)23(5)6/h15-17H,7-14H2,1-6H3,(H,22,25)
InChIKeyQNTQSHRKRHQUMN-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.13
Rot. Bonds3

About N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide

N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide (PubChem CID 139021398) has the molecular formula C20H38BN3O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide
PubChem CID139021398
Molecular FormulaC20H38BN3O3
Molecular Weight379.35 g/mol
Exact Mass379.30
IUPAC NameN-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide
SMILESCN(C)C1CCCCC1NC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C20H38BN3O3/c1-19(2)20(3,4)27-21(26-19)15-11-13-24(14-12-15)18(25)22-16-9-7-8-10-17(16)23(5)6/h15-17H,7-14H2,1-6H3,(H,22,25)
InChIKeyQNTQSHRKRHQUMN-UHFFFAOYSA-N
XLogP3.13
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide
CID 167819747
[(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid
CID 170429908
N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethanone
CID 91667918
N-[(4-carbamoylcyclohexyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxamide
CID 154879111
N-(2-methylcyclopentyl)morpholine-4-carboxamide
CID 115613523
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147
3,3-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carbonyl]piperazin-2-one
CID 139021336
N-[2-(hydroxymethyl)cyclohexyl]morpholine-4-carboxamide
CID 103721884
N-[2-(hydroxymethyl)cyclopentyl]-4-methylpiperidine-1-carboxamide
CID 106360522
N-[2-(aminomethyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79162307
N-cyclopentyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115610399

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide (CID 139021398) is N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide is CN(C)C1CCCCC1NC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide?
The InChIKey is QNTQSHRKRHQUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38BN3O3/c1-19(2)20(3,4)27-21(26-19)15-11-13-24(14-12-15)18(25)22-16-9-7-8-10-17(16)23(5)6/h15-17H,7-14H2,1-6H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide?
N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide has a molecular weight of 379.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 139021398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).